C510-0053 Screening compound: 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C510-0053 Screening compound: 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
C510-0053 Screening compound: 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C510-0053
2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C510-0053

Molecular Formula

C18H16N8O3S2 (C18 H16 N8 O3 S2)

Compound Name

2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-({5-[(26-dioxo-1236-tetrahydropyrimidin-4-yl)methyl]-4-phenyl-4H-124-triazol-3-yl}sulfanyl)-N-(5-methyl-134-thiadiazol-2-yl)acetamide

SMILES

Cc1nnc(NC(CSc2nnc(CC(NC(N3)=O)=CC3=O)n2-c2ccccc2)=O)s1

InChI

InChI=1S/C18H16N8O3S2/c1-10-22-24-17(31-10)21-15(28)9-30-18-25-23-13(26(18)12-5-3-2-4-6-12)7-11-8-14(27)20-16(29)19-11/h2-6,8H,7,9H2,1H3,(H,21,24,28)(H2,19,20,27,29)

InChI Key

JQDUANZEVRJCLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.711

Distribution Coefficient, logD

0.262

Water Solubility, LogSw

-2.13

Polar Surface Area

121.478

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C510-0053 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C510-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C510-0053?
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What is the minimum amount of C510-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C510-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C510-0053
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C510-0053 available by request